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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 111.1
BDBM11365
Purchase
Wt: 173.1
BDBM11372
Purchase
Wt: 187.1
BDBM50035004
Purchase
Wt: 241.2
BDBM50034996
Wt: 199.1
BDBM50034997
Wt: 235.1
BDBM50034999
Purchase
Wt: 162.1
BDBM50035000
Purchase
Wt: 207.1
BDBM50035001
Wt: 183.1
BDBM50065927
Wt: 227.1
BDBM50065928
Wt: 195.1
BDBM50065930
Wt: 255.2
BDBM50065932
Wt: 249.2
BDBM50065933
Wt: 205.1
BDBM50065934
Wt: 107.1
BDBM50065935
Purchase
Displayed 1 to 15 (of 25 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 32 hits in this display   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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26n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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74n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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4.70E+3n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase


(Homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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1.80E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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5.60E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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7.00E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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7.40E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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7.80E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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7.90E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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8.30E+4n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Matrix metalloproteinase-1 (MMP1)


(homo sapiens (human))
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
Initial rates for the hydrolysis of the thioester substrate AcProLeuGly-S-LeuLeuGlyOEt, coupled to the reaction with 5,5-dithiobis(2-nitrobenzoic aci...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Collagenase (ChC)


(Clostridium histolyticum)
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Universita degli Studi



Assay Description
The rate of hydrolysis was determined from the change in absorbance at 324 nm using an extinction coefficient, 24700 M-1 cm-1 for FALGPA. Initial vel...


J Med Chem 43: 3677-87 (2000)


Article DOI: 10.1021/jm000027t
BindingDB Entry DOI: 10.7270/Q2736P45
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50065933
PNG
(CHEMBL420451 | N-Hydroxy-N-phenyl-benzenesulfonami...)
Show SMILES ON(c1ccccc1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C12H11NO3S/c14-13(11-7-3-1-4-8-11)17(15,16)12-9-5-2-6-10-12/h1-10,14H
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Article
PubMed
n/an/a 1.66E+3n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


J Med Chem 41: 2903-9 (1998)


Article DOI: 10.1021/jm980200+
BindingDB Entry DOI: 10.7270/Q2SF2V9C
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50065935
PNG
(CHEMBL98797 | NOB | Nitrosobenzene (Substrate 1) |...)
Show SMILES O=Nc1ccccc1
Show InChI InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
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n/an/a 2.50E+3n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


J Med Chem 41: 2903-9 (1998)


Article DOI: 10.1021/jm980200+
BindingDB Entry DOI: 10.7270/Q2SF2V9C
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50065928
PNG
(CHEMBL101776 | methyl (methoxycarbonyl)oxy(methyls...)
Show SMILES COC(=O)ON(C(=O)OC)S(C)(=O)=O
Show InChI InChI=1S/C5H9NO7S/c1-11-4(7)6(14(3,9)10)13-5(8)12-2/h1-3H3
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n/an/a 2.09E+4n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


J Med Chem 41: 2903-9 (1998)


Article DOI: 10.1021/jm980200+
BindingDB Entry DOI: 10.7270/Q2SF2V9C
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50065932
PNG
(CHEMBL99050 | ethyl (ethoxycarbonyl)oxy(methylsulf...)
Show SMILES CCOC(=O)ON(C(=O)OCC)S(C)(=O)=O
Show InChI InChI=1S/C7H13NO7S/c1-4-13-6(9)8(16(3,11)12)15-7(10)14-5-2/h4-5H2,1-3H3
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n/an/a 3.56E+4n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


J Med Chem 41: 2903-9 (1998)


Article DOI: 10.1021/jm980200+
BindingDB Entry DOI: 10.7270/Q2SF2V9C
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM11372
PNG
(CHEMBL55310 | Hydroxysulfonamide 53 | N-hydroxyben...)
Show SMILES ONS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C6H7NO3S/c8-7-11(9,10)6-4-2-1-3-5-6/h1-5,7-8H
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n/an/a 4.80E+4n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1865-71 (1995)


Article DOI: 10.1021/jm00011a005
BindingDB Entry DOI: 10.7270/Q25T3JHX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50034999
PNG
(CHEMBL55416 | Carbonic acid 1,3-dioxo-1,3-dihydro-...)
Show SMILES CCOC(=O)ON1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C11H9NO5/c1-2-16-11(15)17-12-9(13)7-5-3-4-6-8(7)10(12)14/h3-6H,2H2,1H3
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n/an/a 1.70E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1872-6 (1995)


Article DOI: 10.1021/jm00011a006
BindingDB Entry DOI: 10.7270/Q2222SSH
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM11365
PNG
(CHEMBL98328 | Hydroxysulfonamide 46 | N-hydroxymet...)
Show SMILES CS(=O)(=O)NO
Show InChI InChI=1S/CH5NO3S/c1-6(4,5)2-3/h2-3H,1H3
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n/an/a 1.80E+5n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


J Med Chem 41: 2903-9 (1998)


Article DOI: 10.1021/jm980200+
BindingDB Entry DOI: 10.7270/Q2SF2V9C
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50065935
PNG
(CHEMBL98797 | NOB | Nitrosobenzene (Substrate 1) |...)
Show SMILES O=Nc1ccccc1
Show InChI InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
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n/an/a 2.08E+5n/an/an/an/a8.037



The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA



Assay Description
Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...


Chembiochem 14: 1309-15 (2013)


Article DOI: 10.1002/cbic.201300187
BindingDB Entry DOI: 10.7270/Q2J101T3
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50034996
PNG
(Acetic acid 1,1,3-trioxo-1,3-dihydro-1lambda*6*-be...)
Show SMILES CC(=O)ON1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C9H7NO5S/c1-6(11)15-10-9(12)7-4-2-3-5-8(7)16(10,13)14/h2-5H,1H3
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n/an/a 2.40E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1865-71 (1995)


Article DOI: 10.1021/jm00011a005
BindingDB Entry DOI: 10.7270/Q25T3JHX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50035001
PNG
(CHEMBL53508 | Carbonic acid benzotriazol-1-yl este...)
Show SMILES CCOC(=O)On1nnc2ccccc12
Show InChI InChI=1S/C9H9N3O3/c1-2-14-9(13)15-12-8-6-4-3-5-7(8)10-11-12/h3-6H,2H2,1H3
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n/an/a 2.70E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1872-6 (1995)


Article DOI: 10.1021/jm00011a006
BindingDB Entry DOI: 10.7270/Q2222SSH
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50035004
PNG
(CHEMBL56060 | Carbonic acid 2,5-dioxo-pyrrolidin-1...)
Show SMILES CCOC(=O)ON1C(=O)CCC1=O
Show InChI InChI=1S/C7H9NO5/c1-2-12-7(11)13-8-5(9)3-4-6(8)10/h2-4H2,1H3
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n/an/a 5.70E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1872-6 (1995)


Article DOI: 10.1021/jm00011a006
BindingDB Entry DOI: 10.7270/Q2222SSH
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50035000
PNG
(CHEMBL55517 | Dicarbonic acid diethyl ester | Diet...)
Show SMILES CCOC(=O)OC(=O)OCC
Show InChI InChI=1S/C6H10O5/c1-3-9-5(7)11-6(8)10-4-2/h3-4H2,1-2H3
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n/an/a 7.40E+5n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1872-6 (1995)


Article DOI: 10.1021/jm00011a006
BindingDB Entry DOI: 10.7270/Q2222SSH
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50065934
PNG
(2,2,2-Trifluoro-N-hydroxy-N-phenyl-acetamide | CHE...)
Show SMILES ON(C(=O)C(F)(F)F)c1ccccc1
Show InChI InChI=1S/C8H6F3NO2/c9-8(10,11)7(13)12(14)6-4-2-1-3-5-6/h1-5,14H
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


J Med Chem 41: 2903-9 (1998)


Article DOI: 10.1021/jm980200+
BindingDB Entry DOI: 10.7270/Q2SF2V9C
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50034997
PNG
(2-Hydroxy-1,1-dioxo-1,2-dihydro-1lambda*6*-benzo[d...)
Show SMILES ON1C(=O)c2ccccc2S1(=O)=O
Show InChI InChI=1S/C7H5NO4S/c9-7-5-3-1-2-4-6(5)13(11,12)8(7)10/h1-4,10H
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Minnesota

Curated by ChEMBL


Assay Description
In vitro inhibition against yeast Alcohol dehydrogenase


J Med Chem 38: 1865-71 (1995)


Article DOI: 10.1021/jm00011a005
BindingDB Entry DOI: 10.7270/Q25T3JHX
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50065927
PNG
(CHEMBL318140 | methyl methoxy(methylsulfonyl)carba...)
Show SMILES CON(C(=O)OC)S(C)(=O)=O
Show InChI InChI=1S/C4H9NO5S/c1-9-4(6)5(10-2)11(3,7)8/h1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


J Med Chem 41: 2903-9 (1998)


Article DOI: 10.1021/jm980200+
BindingDB Entry DOI: 10.7270/Q2SF2V9C
More data for this
Ligand-Target Pair
Aldehyde dehydrogenase 1A1


(Rattus norvegicus)
BDBM50065930
PNG
(CHEMBL95922 | N-Acetoxy-N-acetyl-methanesulfonamid...)
Show SMILES CC(=O)ON(C(C)=O)S(C)(=O)=O
Show InChI InChI=1S/C5H9NO5S/c1-4(7)6(11-5(2)8)12(3,9)10/h1-3H3
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n/an/a 1.00E+6n/an/an/an/an/an/a



St. Cloud State University; and the Department of Medicinal Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against yeast aldehyde dehydrogenase(AIDH)


J Med Chem 41: 2903-9 (1998)


Article DOI: 10.1021/jm980200+
BindingDB Entry DOI: 10.7270/Q2SF2V9C
More data for this
Ligand-Target Pair